CID 197786

3365-99-9

Structural Information

Molecular Formula
C24H31ClN4
SMILES
C1CCN(CC1)CCCNC2=C3CCCCC3=C(C=C2)N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H31ClN4/c25-19-9-11-20(12-10-19)27-28-24-14-13-23(21-7-2-3-8-22(21)24)26-15-6-18-29-16-4-1-5-17-29/h9-14,26H,1-8,15-18H2
InChIKey
CSHZDAXDYRNRJU-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)diazenyl]-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.22372 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23100 199.9
[M+Na]+ 433.21294 201.7
[M-H]- 409.21644 208.4
[M+NH4]+ 428.25754 210.2
[M+K]+ 449.18688 194.4
[M+H-H2O]+ 393.22098 187.6
[M+HCOO]- 455.22192 214.7
[M+CH3COO]- 469.23757 206.8
[M+Na-2H]- 431.19839 202.7
[M]+ 410.22317 196.0
[M]- 410.22427 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe